1-(5-Fluoropentyl)-1H-indole-3-carboxylic acid

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Systematic / IUPAC Name: 1-(5-Fluoropentyl)-1H-indole-3-carboxylic acid

ID: Reference4934

Other Names: 5-Fluoro PB-22 3-carboxyindole metabolite;
1H-Indole-3-carboxylic acid, 1-(5-fluoropentyl)-

Formula: C14H16FNO2

Class: Drugs of Abuse/Illegal Drugs Sports Doping Drugs

Spectral Data

1-(5-Fluoropentyl)-1H-indole-3-carboxylic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 212
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 6/4/2016 7:21:10 AM
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Identificators

InChI InChI=1S/C14H16FNO2/c15-8-4-1-5-9-16-10-12(14(17)18)11-6-2-3-7-13(11)16/h2-3,6-7,10H,1,4-5,8-9H2,(H,17,18)
InChI Key DYLIZXRQZRUDLA-UHFFFAOYSA-N
Canonical SMILES C1=CC=C2C(=C1)C(=CN2CCCCCF)C(=O)O
CAS 1432794983
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Other Names 5-Fluoro PB-22 3-carboxyindole metabolite;
1H-Indole-3-carboxylic acid, 1-(5-fluoropentyl)-

In Other Databases

PubChem 86346291
ChemSpider 29341630